data_1001809 _chemical_name_systematic ; Rubidium molybdenum tungsten oxide phosphate(V) (2/1.98/1.02/5/3) ; _chemical_formula_structural 'Rb2 ((Mo1.983 W1.017) O5 (P O4)3)' _chemical_formula_sum 'Mo1.983 O17 P3 Rb2 W1.017' _publ_section_title ; Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an interconnected tunnel structure ; loop_ _publ_author_name 'Leclaire, A' 'Borel, M M' 'Chardon, J' 'Raveau, B' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 130 _journal_year 1997 _journal_page_first 48 _journal_page_last 53 _cell_length_a 10.756(2) _cell_length_b 9.493(1) _cell_length_c 15.478(3) _cell_angle_alpha 90 _cell_angle_beta 108.99(2) _cell_angle_gamma 90 _cell_volume 1494.4 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2+y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number W6+ 6.000 Mo6+ 6.000 W5+ 5.000 Mo5+ 5.000 Rb1+ 1.000 P5+ 5.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag W1 W6+ 4 e 0.31228(8) 0.1226(1) 0.06091(5) 0.572(9) 0 d Mo1 Mo6+ 4 e 0.31228(8) 0.1226(1) 0.06091(5) 0.428(9) 0 d W2 W6+ 4 e 0.4765(1) 0.2544(1) 0.40162(6) 0.328(8) 0 d Mo2 Mo6+ 4 e 0.4765(1) 0.2544(1) 0.40162(6) 0.672(8) 0 d W3 W5+ 4 e 0.8019(1) 0.1197(1) 0.25667(7) 0.117(7) 0 d Mo3 Mo5+ 4 e 0.8019(1) 0.1197(1) 0.25667(7) 0.883(7) 0 d Rb1 Rb1+ 4 e 0.1032(2) 0.3691(2) 0.2107(1) 1. 0 d Rb2 Rb1+ 4 e 0.208(2) 0.097(2) 0.4927(8) 0.25(2) 0 d Rb3 Rb1+ 4 e 0.1635(7) 0.1363(7) 0.4937(2) 0.75(2) 0 d P1 P5+ 4 e 0.0779(4) 0.5976(4) 0.6219(3) 1. 0 d P2 P5+ 4 e 0.4021(4) 0.4034(5) 0.5699(3) 1. 0 d P3 P5+ 4 e 0.5381(4) 0.3248(5) 0.2007(3) 1. 0 d O1 O2- 4 e 0.250(1) 0.116(1) 0.1496(7) 1. 0 d O2 O2- 4 e 0.191(1) 0.217(1) -0.0206(7) 1. 0 d O3 O2- 4 e 0.232(1) -0.056(1) 0.0005(7) 1. 0 d O4 O2- 4 e 0.421(1) 0.291(1) 0.1144(7) 1. 0 d O5 O2- 4 e 0.462(1) -0.006(1) 0.1291(7) 1. 0 d O6 O2- 4 e 0.437(1) 0.137(1) -0.0242(7) 1. 0 d O7 O2- 4 e 0.312(1) 0.251(1) 0.3543(7) 1. 0 d O8 O2- 4 e 0.515(1) 0.081(1) 0.4211(8) 1. 0 d O9 O2- 4 e 0.464(1) 0.289(1) 0.5270(7) 1. 0 d O10 O2- 4 e 0.515(1) 0.261(1) 0.2840(7) 1. 0 d O11 O2- 4 e 0.509(1) 0.471(1) 0.4025(8) 1. 0 d O12 O2- 4 e 0.743(1) 0.078(1) 0.3418(8) 1. 0 d O13 O2- 4 e 0.711(1) -0.026(1) 0.1659(7) 1. 0 d O14 O2- 4 e 0.958(1) -0.015(1) 0.2974(7) 1. 0 d O15 O2- 4 e 0.665(1) 0.262(1) 0.1921(7) 1. 0 d O16 O2- 4 e 0.929(1) 0.268(1) 0.3228(7) 1. 0 d O17 O2- 4 e 0.881(1) 0.172(1) 0.1506(7) 1. 0 d loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 W1 0.0089(4) 0.0006(4) 0.0025(3) 0.0074(4) -0.0007(4) 0.0044(4) Mo1 0.0089(4) 0.0006(4) 0.0025(3) 0.0074(4) -0.0007(4) 0.0044(4) W2 0.0140(5) -0.0021(5) 0.0056(3) 0.0093(5) -0.0016(4) 0.0049(4) Mo2 0.0140(5) -0.0021(5) 0.0056(3) 0.0093(5) -0.0016(4) 0.0049(4) W3 0.0113(6) -0.0001(6) 0.0037(4) 0.0079(6) -0.0017(5) 0.0048(5) Mo3 0.0113(6) -0.0001(6) 0.0037(4) 0.0079(6) -0.0017(5) 0.0048(5) Rb1 0.034(1) -0.003(1) 0.0052(7) 0.029(1) 0.0008(9) 0.0170(8) P1 0.013(2) .000(2) 0.003(2) 0.005(2) -0.001(1) 0.005(2) P2 0.016(2) 0.001(2) 0.006(2) 0.010(2) .000(1) 0.004(2) P3 0.016(2) -0.001(2) 0.005(2) 0.012(2) 0.001(2) 0.008(2) _refine_ls_R_factor_all 0.046